3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]azepan-2-one

Systemtic Name: 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]azepan-2-one Openeye Name: 3-[[2-(2-pyridyl)thiazol-4-yl]methylamino]azepan-2-one CAS Name: 3-[[2-(2-pyridinyl)-4-thiazolyl]methylamino]-2-azepanone IUPAC Name: 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]azepan-2-one Traditional Name: 3-[[2-(2-pyridyl)thiazol-4-yl]methylamino]azepan-2-one Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CSC(=N2)C3=CC=CC=N3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CSC(=N2)C3=CC=CC=N3

InChI

InChI=1S/C15H18N4OS/c20-14-12(5-1-4-8-17-14)18-9-11-10-21-15(19-11)13-6-2-3-7-16-13/h2-3,6-7,10,12,18H,1,4-5,8-9H2,(H,17,20)